2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(2-methyl-4-pyrrolidinosulfonyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H32N2O4S/c1-19-18-22(32(30,31)27-16-4-5-17-27)11-13-23(19)24(25(28)29)12-8-20-6-9-21(10-7-20)26-14-2-3-15-26/h6-7,9-11,13,18,24H,2-5,8,12,14-17H2,1H3,(H,28,29)